⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29745798 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL15815080 | 0.99 | — | — | |
| SCHEMBL20814844 | 0.93 | — | — | |
| SCHEMBL20814784 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL15814510 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL15814972 | 0.92 | — | — | |
| SCHEMBL20815098 | 0.91 | HTR2C (0.30) | — | |
| SCHEMBL20815055 | 0.91 | — | — | |
| SCHEMBL20814723 | 0.90 | — | — | |
| SCHEMBL20814810 | 0.90 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3365378-A1 | CATALYSTS FOR THE FORMATION OF MULTIMODAL POLYMERS | ExxonMobil Chemical Patents Inc. (US) | 2018-08-29 | — | — | EP | disclosed |
| WO-2017069854-A1 | CATALYSTS FOR THE FORMATION OF MULTIMODAL POLYMERS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2017-04-27 | — | — | WO | disclosed |